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. Author manuscript; available in PMC: 2021 May 14.
Published in final edited form as: J Med Chem. 2020 Apr 16;63(9):4929–4956. doi: 10.1021/acs.jmedchem.0c00311

Table 10.

Physicochemical properties and in vitro binding and metabolism

Cmpd 37 1a
MW 323 415
Log D 7.4 2.8b 4.0c
Solubility (μg/mL)
 FaSSGF (pH 1.6) 46.4 6.8
 FaSSIF (pH 6.5) 60.1 5.1
 FeSSIF (pH 5.8) 115 27.6
 PBS (pH 7.4) 45.6 2.0
H/R/M plasma protein binding (% bound) 90.0 / 88.2 / 88.9 99.9 / 97.0 / 99.7
Albumax binding (% bound) 51.8 83.1
Microsome binding (% bound) 29.9 71.7
DMEM/10% FCS binding (% bound) 31.5 78.5
H/R/M CLint (μL/min/mg) 10 / 14 / 24 <7 / <7 / <7
a

Data from22.

b

chromatographic

c

shake flask

Human (H), rat (R), mouse (M)